2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,3-benzothiazole CAS Name: 2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,3-benzothiazole Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1,3-benzothiazole Formula: C18H20N3S+ MolecularWeight: 310.4365

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H19N3S/c1-2-6-15(7-3-1)14-20-10-12-21(13-11-20)18-19-16-8-4-5-9-17(16)22-18/h1-9H,10-14H2/p+1